3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
Bezeichnung:3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
CAS-Nr219909-83-8
Englisch Name:3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride
CBNumberCB1971859
SummenformelC12H15ClN2O3S
Molgewicht302.78
MOL-Datei219909-83-8.mol
3-[(2S,4S)-4-Mercaptopyrrolidine-2-carboxamido]benzoic acid hydrochloride physikalisch-chemischer Eigenschaften
Schmelzpunkt | 212 °C |
storage temp. | Inert atmosphere,Room Temperature |
Löslichkeit | DMSO (Slightly), Methanol (Slightly), Phosphoric Acid (Slightly), Water (Slightly) |
Aggregatzustand | Solid |
Farbe | White to Off-White |
InChI | InChI=1/C12H14N2O3S.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);1H/t9-,10-;/s3 |
InChIKey | DDRIIBZWSJDJQQ-GQCGHMMXNA-N |
SMILES | C(O)(=O)C1=CC=CC(NC([C@@H]2C[C@H](S)CN2)=O)=C1.Cl |&1:10,12,r| |
CAS Datenbank | 219909-83-8(CAS DataBase Reference) |